#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:31:59 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179382 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/79/4327997.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4327997
loop_
_publ_author_name
'Siew-Peng Chia'
'Hui-Xian Yeong'
'Cheuk-Wai So'
_publ_section_title
;
 Reactivity of Digermylenes toward Potassium Graphite: Synthesis and
 Characterization of Germylidenide Anions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1002
_journal_page_last               1010
_journal_paper_doi               10.1021/ic202138t
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'C100 H134.45 Ge4 K4 N4 O12'
_chemical_formula_sum            'C100 H134.45 Ge4 K4 N4 O12'
_chemical_formula_weight         2031.33
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.867(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.8408(6)
_cell_length_b                   26.3835(8)
_cell_length_c                   25.1989(9)
_cell_measurement_reflns_used    9976
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      20.41
_cell_measurement_theta_min      2.12
_cell_volume                     10476.4(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      103(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1045
_diffrn_reflns_av_sigmaI/netI    0.1317
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            129898
_diffrn_reflns_theta_full        25.44
_diffrn_reflns_theta_max         25.44
_diffrn_reflns_theta_min         1.65
_exptl_absorpt_coefficient_mu    1.352
_exptl_absorpt_correction_T_max  0.9479
_exptl_absorpt_correction_T_min  0.6137
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.288
_exptl_crystal_description       needle
_exptl_crystal_F_000             4250
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.758
_refine_diff_density_min         -0.698
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1333
_refine_ls_number_reflns         19228
_refine_ls_number_restraints     630
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.1615
_refine_ls_R_factor_gt           0.0585
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1015P)²+3.0160P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1374
_refine_ls_wR_factor_ref         0.1975
_reflns_number_gt                9782
_reflns_number_total             19228
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic202138t_si_002_6.cif
_cod_data_source_block           scw421s
_cod_database_code               4327997
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.11396(4) 1.03685(2) 0.66557(3) 0.0307(2) Uani 1 1 d . . .
Ge2 Ge 0.25208(5) 0.90567(3) 0.89387(3) 0.0448(2) Uani 1 1 d . A .
Ge3 Ge 0.42488(4) 0.79190(2) 0.68409(3) 0.0306(2) Uani 1 1 d . A .
Ge4 Ge 0.06514(5) 0.67321(2) 0.71834(3) 0.0340(2) Uani 1 1 d . A .
C1 C 0.0956(4) 1.0721(2) 0.7300(3) 0.0289(15) Uani 1 1 d . A .
C2 C 0.1424(4) 1.0775(2) 0.7791(3) 0.0356(17) Uani 1 1 d . . .
C3 C 0.2410(5) 1.0669(3) 0.8489(3) 0.051(2) Uani 1 1 d . . .
H3A H 0.2240 1.0375 0.8699 0.061 Uiso 1 1 calc R . .
H3B H 0.3021 1.0736 0.8587 0.061 Uiso 1 1 calc R . .
C4 C 0.1230(5) 1.1081(2) 0.8196(3) 0.0380(18) Uani 1 1 d . . .
C5 C 0.0493(5) 1.1372(3) 0.8147(3) 0.0439(19) Uani 1 1 d . . .
H5 H 0.0354 1.1585 0.8429 0.053 Uiso 1 1 calc R . .
C6 C -0.0019(5) 1.1341(2) 0.7684(3) 0.0447(19) Uani 1 1 d . . .
H6 H -0.0532 1.1530 0.7647 0.054 Uiso 1 1 calc R . .
C7 C 0.0187(4) 1.1033(2) 0.7245(3) 0.0304(16) Uani 1 1 d . . .
C8 C -0.0246(4) 1.1023(2) 0.6743(3) 0.0308(16) Uani 1 1 d . A .
C9 C -0.1025(4) 1.1326(2) 0.6549(3) 0.0443(19) Uani 1 1 d . . .
H9A H -0.1245 1.1495 0.6852 0.067 Uiso 1 1 calc R . .
H9B H -0.1459 1.1098 0.6377 0.067 Uiso 1 1 calc R . .
H9C H -0.0876 1.1581 0.6291 0.067 Uiso 1 1 calc R . .
C10 C -0.0229(4) 1.0658(2) 0.5850(2) 0.0247(14) Uani 1 1 d . A .
C11 C 0.0069(4) 1.0957(2) 0.5449(3) 0.0273(15) Uani 1 1 d . . .
C12 C 0.0734(4) 1.1362(2) 0.5580(3) 0.0348(17) Uani 1 1 d . . .
H12 H 0.0800 1.1406 0.5976 0.042 Uiso 1 1 calc R . .
C13 C 0.0475(5) 1.1876(3) 0.5334(3) 0.060(2) Uani 1 1 d . . .
H13A H 0.0372 1.1842 0.4945 0.091 Uiso 1 1 calc R . .
H13B H 0.0931 1.2122 0.5423 0.091 Uiso 1 1 calc R . .
H13C H -0.0044 1.1994 0.5476 0.091 Uiso 1 1 calc R . .
C14 C 0.1595(5) 1.1213(3) 0.5415(3) 0.056(2) Uani 1 1 d . . .
H14A H 0.1778 1.0894 0.5588 0.084 Uiso 1 1 calc R . .
H14B H 0.2009 1.1479 0.5523 0.084 Uiso 1 1 calc R . .
H14C H 0.1554 1.1171 0.5027 0.084 Uiso 1 1 calc R . .
C15 C -0.0230(4) 1.0863(2) 0.4925(3) 0.0347(17) Uani 1 1 d . . .
H15 H -0.0034 1.1064 0.4650 0.042 Uiso 1 1 calc R . .
C16 C -0.0815(4) 1.0478(2) 0.4794(3) 0.0376(17) Uani 1 1 d . . .
H16 H -0.0996 1.0406 0.4431 0.045 Uiso 1 1 calc R . .
C17 C -0.1128(4) 1.0202(2) 0.5194(3) 0.0365(17) Uani 1 1 d . . .
H17 H -0.1538 0.9945 0.5103 0.044 Uiso 1 1 calc R . .
C18 C -0.0861(4) 1.0290(2) 0.5724(3) 0.0311(16) Uani 1 1 d . . .
C19 C -0.1231(5) 0.9996(3) 0.6167(3) 0.046(2) Uani 1 1 d . . .
H19 H -0.1033 1.0161 0.6515 0.055 Uiso 1 1 calc R . .
C20 C -0.2198(5) 1.0010(3) 0.6098(4) 0.063(2) Uani 1 1 d . . .
H20A H -0.2391 1.0362 0.6064 0.095 Uiso 1 1 calc R . .
H20B H -0.2417 0.9855 0.6410 0.095 Uiso 1 1 calc R . .
H20C H -0.2408 0.9821 0.5777 0.095 Uiso 1 1 calc R . .
C21 C -0.0942(6) 0.9451(3) 0.6193(3) 0.066(3) Uani 1 1 d . . .
H21A H -0.1221 0.9272 0.6468 0.099 Uiso 1 1 calc R . .
H21B H -0.0325 0.9438 0.6281 0.099 Uiso 1 1 calc R . .
H21C H -0.1093 0.9288 0.5846 0.099 Uiso 1 1 calc R . .
C22 C 0.3336(4) 0.9474(2) 0.8626(3) 0.0358(17) Uani 1 1 d . A .
C23 C 0.3533(5) 0.9543(2) 0.8101(3) 0.0399(18) Uani 1 1 d . A .
C24 C 0.3619(5) 0.9443(3) 0.7227(3) 0.053(2) Uani 1 1 d . . .
H24A H 0.4056 0.9183 0.7180 0.064 Uiso 1 1 calc R . .
H24B H 0.3251 0.9481 0.6888 0.064 Uiso 1 1 calc R . .
C25 C 0.4071(5) 0.9900(2) 0.7943(3) 0.0418(19) Uani 1 1 d . . .
C26 C 0.4513(5) 1.0233(3) 0.8303(3) 0.048(2) Uani 1 1 d . . .
H26 H 0.4889 1.0481 0.8189 0.058 Uiso 1 1 calc R . .
C27 C 0.4377(5) 1.0181(3) 0.8831(3) 0.048(2) Uani 1 1 d . . .
H27 H 0.4682 1.0393 0.9088 0.058 Uiso 1 1 calc R . .
C28 C 0.3790(4) 0.9817(2) 0.9011(3) 0.0391(18) Uani 1 1 d . . .
C29 C 0.3538(4) 0.9778(2) 0.9523(3) 0.0390(18) Uani 1 1 d . A .
C30 C 0.3882(5) 1.0090(3) 1.0004(3) 0.051(2) Uani 1 1 d . . .
H30A H 0.3449 1.0333 1.0093 0.077 Uiso 1 1 calc R . .
H30B H 0.4389 1.0274 0.9921 0.077 Uiso 1 1 calc R . .
H30C H 0.4029 0.9865 1.0309 0.077 Uiso 1 1 calc R . .
C31 C 0.2510(5) 0.9395(3) 1.0054(3) 0.049(2) Uani 1 1 d . A .
C32 C 0.1906(5) 0.9766(3) 1.0150(3) 0.059(2) Uani 1 1 d . . .
C33 C 0.1675(6) 1.0201(4) 0.9764(3) 0.073(3) Uani 1 1 d . . .
H33 H 0.2149 1.0236 0.9533 0.087 Uiso 1 1 calc R . .
C34 C 0.1594(8) 1.0711(4) 1.0048(4) 0.108(4) Uani 1 1 d . . .
H34A H 0.1083 1.0708 1.0237 0.162 Uiso 1 1 calc R . .
H34B H 0.1552 1.0985 0.9784 0.162 Uiso 1 1 calc R . .
H34C H 0.2094 1.0765 1.0304 0.162 Uiso 1 1 calc R . .
C35 C 0.0870(6) 1.0083(5) 0.9396(4) 0.102(4) Uani 1 1 d . . .
H35A H 0.0967 0.9786 0.9177 0.153 Uiso 1 1 calc R . .
H35B H 0.0724 1.0375 0.9163 0.153 Uiso 1 1 calc R . .
H35C H 0.0401 1.0014 0.9611 0.153 Uiso 1 1 calc R . .
C36 C 0.1473(6) 0.9709(4) 1.0606(4) 0.082(3) Uani 1 1 d . . .
H36 H 0.1052 0.9949 1.0678 0.098 Uiso 1 1 calc R . .
C37 C 0.1651(8) 0.9309(5) 1.0949(4) 0.089(3) Uani 1 1 d . . .
H37 H 0.1342 0.9270 1.1250 0.107 Uiso 1 1 calc R . .
C38 C 0.2260(7) 0.8971(4) 1.0862(3) 0.077(3) Uani 1 1 d . . .
H38 H 0.2381 0.8704 1.1112 0.093 Uiso 1 1 calc R . .
C39 C 0.2717(6) 0.8999(3) 1.0418(3) 0.057(2) Uani 1 1 d . . .
C40 C 0.3423(6) 0.8621(3) 1.0336(3) 0.067(3) Uani 1 1 d D . .
H40 H 0.3731 0.8737 1.0032 0.080 Uiso 1 1 calc R . .
C41 C 0.4049(6) 0.8577(3) 1.0829(4) 0.077(3) Uani 1 1 d . . .
H41A H 0.4275 0.8913 1.0930 0.115 Uiso 1 1 calc R . .
H41B H 0.4516 0.8352 1.0755 0.115 Uiso 1 1 calc R . .
H41C H 0.3762 0.8436 1.1123 0.115 Uiso 1 1 calc R . .
C42 C 0.3044(7) 0.8099(3) 1.0205(4) 0.085(3) Uani 1 1 d . . .
H42A H 0.2753 0.7977 1.0506 0.127 Uiso 1 1 calc R . .
H42B H 0.3499 0.7862 1.0139 0.127 Uiso 1 1 calc R . .
H42C H 0.2638 0.8122 0.9886 0.127 Uiso 1 1 calc R . .
C43 C 0.3168(4) 0.8263(2) 0.6718(3) 0.0294(15) Uani 1 1 d . A .
C44 C 0.2477(4) 0.8311(2) 0.7011(2) 0.0282(15) Uani 1 1 d . A .
C45 C 0.1553(5) 0.8188(2) 0.7606(3) 0.0413(19) Uani 1 1 d . . .
H45A H 0.1497 0.8246 0.7989 0.050 Uiso 1 1 calc R . .
H45B H 0.1210 0.7888 0.7486 0.050 Uiso 1 1 calc R . .
C46 C 0.1792(4) 0.8608(2) 0.6874(3) 0.0341(17) Uani 1 1 d . A .
C47 C 0.1707(5) 0.8894(3) 0.6406(3) 0.046(2) Uani 1 1 d . . .
H47 H 0.1225 0.9103 0.6314 0.055 Uiso 1 1 calc R . .
C48 C 0.2352(5) 0.8860(3) 0.6087(3) 0.054(2) Uani 1 1 d . . .
H48 H 0.2310 0.9045 0.5762 0.065 Uiso 1 1 calc R . .
C49 C 0.3082(4) 0.8559(2) 0.6226(3) 0.0341(16) Uani 1 1 d . . .
C50 C 0.3777(5) 0.8522(3) 0.5934(3) 0.0420(18) Uani 1 1 d . A .
C51 C 0.3843(5) 0.8777(3) 0.5404(3) 0.060(2) Uani 1 1 d . . .
H51A H 0.4299 0.9029 0.5442 0.089 Uiso 1 1 calc R . .
H51B H 0.3304 0.8944 0.5286 0.089 Uiso 1 1 calc R . .
H51C H 0.3968 0.8522 0.5140 0.089 Uiso 1 1 calc R . .
C52 C 0.5223(4) 0.8218(3) 0.5958(3) 0.0390(18) Uani 1 1 d . A .
C53 C 0.5796(5) 0.8609(3) 0.6092(3) 0.048(2) Uani 1 1 d . . .
C54 C 0.5586(6) 0.9037(3) 0.6457(4) 0.071(3) Uani 1 1 d . . .
H54 H 0.5004 0.8969 0.6561 0.085 Uiso 1 1 calc R . .
C55 C 0.5557(5) 0.9556(3) 0.6192(4) 0.085(3) Uani 1 1 d . . .
H55A H 0.6130 0.9652 0.6115 0.128 Uiso 1 1 calc R . .
H55B H 0.5342 0.9806 0.6431 0.128 Uiso 1 1 calc R . .
H55C H 0.5182 0.9542 0.5858 0.128 Uiso 1 1 calc R . .
C56 C 0.6192(9) 0.9040(4) 0.6973(4) 0.109(4) Uani 1 1 d . . .
H56A H 0.6177 0.8708 0.7147 0.164 Uiso 1 1 calc R . .
H56B H 0.6014 0.9302 0.7214 0.164 Uiso 1 1 calc R . .
H56C H 0.6770 0.9111 0.6888 0.164 Uiso 1 1 calc R . .
C57 C 0.6582(5) 0.8599(3) 0.5883(4) 0.058(2) Uani 1 1 d . . .
H57 H 0.6980 0.8863 0.5972 0.069 Uiso 1 1 calc R . .
C58 C 0.6784(5) 0.8217(4) 0.5553(4) 0.062(3) Uani 1 1 d . . .
H58 H 0.7317 0.8220 0.5411 0.075 Uiso 1 1 calc R . .
C59 C 0.6223(5) 0.7826(3) 0.5425(3) 0.061(2) Uani 1 1 d . . .
H59 H 0.6376 0.7562 0.5196 0.073 Uiso 1 1 calc R . .
C60 C 0.5435(5) 0.7813(3) 0.5624(3) 0.048(2) Uani 1 1 d . . .
C61 C 0.4841(6) 0.7363(3) 0.5492(3) 0.063(2) Uani 1 1 d . . .
H61 H 0.4386 0.7373 0.5740 0.076 Uiso 1 1 calc R . .
C62 C 0.4413(8) 0.7413(5) 0.4913(5) 0.123(4) Uani 1 1 d . . .
H62A H 0.4087 0.7729 0.4878 0.184 Uiso 1 1 calc R . .
H62B H 0.4031 0.7125 0.4831 0.184 Uiso 1 1 calc R . .
H62C H 0.4850 0.7417 0.4665 0.184 Uiso 1 1 calc R . .
C63 C 0.5286(7) 0.6856(4) 0.5560(4) 0.091(3) Uani 1 1 d . . .
H63A H 0.5726 0.6835 0.5314 0.136 Uiso 1 1 calc R . .
H63B H 0.4874 0.6583 0.5482 0.136 Uiso 1 1 calc R . .
H63C H 0.5549 0.6823 0.5928 0.136 Uiso 1 1 calc R . .
C64 C 0.1303(4) 0.6962(2) 0.7825(3) 0.0294(16) Uani 1 1 d . . .
C65 C 0.2172(5) 0.7014(2) 0.7975(3) 0.0309(16) Uani 1 1 d . . .
C66 C 0.3581(4) 0.6937(2) 0.8016(3) 0.0411(18) Uani 1 1 d . . .
H66A H 0.3735 0.6609 0.8190 0.049 Uiso 1 1 calc R . .
H66B H 0.4058 0.7050 0.7820 0.049 Uiso 1 1 calc R . .
C67 C 0.2520(4) 0.7253(2) 0.8421(3) 0.0325(16) Uani 1 1 d . . .
C68 C 0.2032(5) 0.7460(2) 0.8797(3) 0.0371(17) Uani 1 1 d . . .
H68 H 0.2282 0.7623 0.9110 0.045 Uiso 1 1 calc R . .
C69 C 0.1174(5) 0.7414(2) 0.8686(3) 0.0407(18) Uani 1 1 d . . .
H69 H 0.0818 0.7543 0.8936 0.049 Uiso 1 1 calc R . .
C70 C 0.0790(4) 0.7181(2) 0.8213(3) 0.0319(16) Uani 1 1 d . . .
C71 C -0.0081(5) 0.7168(2) 0.8046(3) 0.0351(17) Uani 1 1 d . A .
C72 C -0.0763(5) 0.7362(3) 0.8369(3) 0.050(2) Uani 1 1 d . . .
H72A H -0.0986 0.7683 0.8217 0.075 Uiso 1 1 calc R . .
H72B H -0.0523 0.7417 0.8738 0.075 Uiso 1 1 calc R . .
H72C H -0.1223 0.7113 0.8361 0.075 Uiso 1 1 calc R . .
C73 C -0.1148(4) 0.6976(2) 0.7321(3) 0.0306(16) Uani 1 1 d . A .
C74 C -0.1672(5) 0.6547(2) 0.7370(3) 0.0386(18) Uani 1 1 d . . .
C75 C -0.1317(5) 0.6060(3) 0.7635(3) 0.051(2) Uani 1 1 d . . .
H75 H -0.0686 0.6096 0.7695 0.062 Uiso 1 1 calc R . .
C76 C -0.1633(8) 0.5979(4) 0.8159(5) 0.120(5) Uani 1 1 d . . .
H76A H -0.1513 0.6279 0.8382 0.180 Uiso 1 1 calc R . .
H76B H -0.1349 0.5684 0.8332 0.180 Uiso 1 1 calc R . .
H76C H -0.2247 0.5919 0.8110 0.180 Uiso 1 1 calc R . .
C77 C -0.1512(6) 0.5603(3) 0.7274(4) 0.090(3) Uani 1 1 d . . .
H77A H -0.1196 0.5308 0.7424 0.135 Uiso 1 1 calc R . .
H77B H -0.1343 0.5676 0.6918 0.135 Uiso 1 1 calc R . .
H77C H -0.2122 0.5531 0.7246 0.135 Uiso 1 1 calc R . .
C78 C -0.2512(5) 0.6580(3) 0.7173(3) 0.0456(19) Uani 1 1 d . . .
H78 H -0.2875 0.6298 0.7209 0.055 Uiso 1 1 calc R . .
C79 C -0.2840(5) 0.7009(3) 0.6925(3) 0.047(2) Uani 1 1 d . . .
H79 H -0.3427 0.7029 0.6803 0.057 Uiso 1 1 calc R . .
C80 C -0.2308(5) 0.7413(3) 0.6853(3) 0.0431(19) Uani 1 1 d . . .
H80 H -0.2531 0.7703 0.6664 0.052 Uiso 1 1 calc R . .
C81 C -0.1464(4) 0.7407(2) 0.7049(3) 0.0354(17) Uani 1 1 d . . .
C82 C -0.0897(5) 0.7867(2) 0.6979(3) 0.0436(19) Uani 1 1 d . . .
H82 H -0.0348 0.7809 0.7204 0.052 Uiso 1 1 calc R . .
C83 C -0.1296(6) 0.8352(3) 0.7183(4) 0.070(3) Uani 1 1 d . . .
H83A H -0.1813 0.8435 0.6952 0.105 Uiso 1 1 calc R . .
H83B H -0.0892 0.8633 0.7179 0.105 Uiso 1 1 calc R . .
H83C H -0.1437 0.8298 0.7549 0.105 Uiso 1 1 calc R . .
C84 C -0.0695(5) 0.7920(3) 0.6406(3) 0.060(2) Uani 1 1 d . . .
H84A H -0.0441 0.7604 0.6293 0.090 Uiso 1 1 calc R . .
H84B H -0.0295 0.8200 0.6381 0.090 Uiso 1 1 calc R . .
H84C H -0.1218 0.7989 0.6176 0.090 Uiso 1 1 calc R . .
C85 C -0.1448(10) 0.9841(8) 0.7671(8) 0.133(7) Uani 0.700(11) 1 d PDU A 1
H85A H -0.1330 0.9653 0.7351 0.200 Uiso 0.700(11) 1 calc PR A 1
H85B H -0.1752 1.0154 0.7565 0.200 Uiso 0.700(11) 1 calc PR A 1
H85C H -0.1797 0.9632 0.7885 0.200 Uiso 0.700(11) 1 calc PR A 1
C86 C -0.0659(8) 0.9963(4) 0.7982(6) 0.086(4) Uani 0.700(11) 1 d PDU A 1
H86A H -0.0769 1.0107 0.8331 0.103 Uiso 0.700(11) 1 calc PR A 1
H86B H -0.0336 1.0214 0.7792 0.103 Uiso 0.700(11) 1 calc PR A 1
C87 C -0.0565(8) 0.9160(4) 0.8440(5) 0.067(4) Uani 0.700(11) 1 d PDU A 1
H87A H -0.1133 0.9050 0.8281 0.081 Uiso 0.700(11) 1 calc PR A 1
H87B H -0.0638 0.9361 0.8764 0.081 Uiso 0.700(11) 1 calc PR A 1
C88 C -0.0026(9) 0.8705(4) 0.8586(6) 0.073(4) Uani 0.700(11) 1 d PDU A 1
H88A H -0.0010 0.8487 0.8273 0.109 Uiso 0.700(11) 1 calc PR A 1
H88B H -0.0267 0.8517 0.8870 0.109 Uiso 0.700(11) 1 calc PR A 1
H88C H 0.0551 0.8815 0.8712 0.109 Uiso 0.700(11) 1 calc PR A 1
O3 O -0.0165(7) 0.9470(5) 0.8059(8) 0.073(3) Uani 0.700(11) 1 d PDU A 1
C85A C -0.076(2) 1.0045(11) 0.7678(13) 0.085(9) Uani 0.300(11) 1 d PDU A 2
H85D H -0.0365 1.0256 0.7904 0.128 Uiso 0.300(11) 1 calc PR A 2
H85E H -0.1279 1.0240 0.7570 0.128 Uiso 0.300(11) 1 calc PR A 2
H85F H -0.0500 0.9941 0.7359 0.128 Uiso 0.300(11) 1 calc PR A 2
C86A C -0.0977(16) 0.9605(10) 0.7968(12) 0.084(6) Uani 0.300(11) 1 d PDU A 2
H86C H -0.1359 0.9379 0.7740 0.100 Uiso 0.300(11) 1 calc PR A 2
H86D H -0.1262 0.9702 0.8285 0.100 Uiso 0.300(11) 1 calc PR A 2
C87A C -0.030(2) 0.8866(10) 0.8425(12) 0.095(7) Uani 0.300(11) 1 d PDU A 2
H87C H -0.0033 0.8591 0.8234 0.114 Uiso 0.300(11) 1 calc PR A 2
H87D H -0.0920 0.8812 0.8358 0.114 Uiso 0.300(11) 1 calc PR A 2
C88A C -0.008(3) 0.8761(15) 0.9005(13) 0.133(13) Uani 0.300(11) 1 d PDU A 2
H88D H 0.0328 0.8480 0.9048 0.200 Uiso 0.300(11) 1 calc PR A 2
H88E H -0.0593 0.8670 0.9168 0.200 Uiso 0.300(11) 1 calc PR A 2
H88F H 0.0176 0.9064 0.9180 0.200 Uiso 0.300(11) 1 calc PR A 2
O3A O -0.0126(13) 0.9339(13) 0.8137(17) 0.066(5) Uani 0.300(11) 1 d PDU A 2
C89 C 0.6346(9) 0.9351(4) 0.8545(5) 0.119(5) Uani 0.926(6) 1 d PDU A 1
H89A H 0.6880 0.9168 0.8524 0.179 Uiso 0.926(6) 1 calc PR A 1
H89B H 0.6457 0.9665 0.8747 0.179 Uiso 0.926(6) 1 calc PR A 1
H89C H 0.6089 0.9431 0.8185 0.179 Uiso 0.926(6) 1 calc PR A 1
C90 C 0.5739(7) 0.9020(4) 0.8826(4) 0.090(3) Uani 0.926(6) 1 d PDU A 1
H90A H 0.6004 0.8934 0.9188 0.108 Uiso 0.926(6) 1 calc PR A 1
H90B H 0.5213 0.9213 0.8866 0.108 Uiso 0.926(6) 1 calc PR A 1
C91 C 0.6294(8) 0.8250(4) 0.8443(5) 0.113(4) Uani 0.926(6) 1 d PDU A 1
H91A H 0.6662 0.8207 0.8781 0.136 Uiso 0.926(6) 1 calc PR A 1
H91B H 0.6623 0.8421 0.8181 0.136 Uiso 0.926(6) 1 calc PR A 1
C92 C 0.5964(8) 0.7732(3) 0.8227(5) 0.121(5) Uani 0.926(6) 1 d PDU A 1
H92A H 0.5636 0.7569 0.8489 0.182 Uiso 0.926(6) 1 calc PR A 1
H92B H 0.6445 0.7516 0.8161 0.182 Uiso 0.926(6) 1 calc PR A 1
H92C H 0.5599 0.7782 0.7892 0.182 Uiso 0.926(6) 1 calc PR A 1
O8 O 0.5521(4) 0.8549(3) 0.8531(3) 0.096(2) Uani 0.926(6) 1 d PDU A 1
C89A C 0.490(3) 0.822(4) 0.9439(19) 0.112(12) Uani 0.074(6) 1 d PDU A 2
H89D H 0.4318 0.8337 0.9465 0.134 Uiso 0.074(6) 1 calc PR A 2
H89E H 0.5117 0.8026 0.9763 0.134 Uiso 0.074(6) 1 calc PR A 2
C90A C 0.547(5) 0.862(3) 0.931(3) 0.103(9) Uani 0.074(6) 1 d PDU A 2
H90C H 0.5828 0.8716 0.9640 0.124 Uiso 0.074(6) 1 calc PR A 2
H90D H 0.5129 0.8916 0.9185 0.124 Uiso 0.074(6) 1 calc PR A 2
C91A C 0.602(3) 0.846(4) 0.889(3) 0.105(6) Uani 0.074(6) 1 d PDU A 2
H91C H 0.5908 0.8670 0.8569 0.126 Uiso 0.074(6) 1 calc PR A 2
H91D H 0.6631 0.8495 0.9029 0.126 Uiso 0.074(6) 1 calc PR A 2
C92A C 0.580(3) 0.792(4) 0.878(3) 0.114(9) Uani 0.074(6) 1 d PDU A 2
H92D H 0.5797 0.7834 0.8397 0.137 Uiso 0.074(6) 1 calc PR A 2
H92E H 0.6179 0.7681 0.8997 0.137 Uiso 0.074(6) 1 calc PR A 2
O8A O 0.500(3) 0.794(2) 0.8943(15) 0.119(12) Uani 0.074(6) 1 d PDU A 2
C93 C 0.1390(14) 0.6424(6) 0.5479(11) 0.108(7) Uani 0.739(12) 1 d PDU A 1
H93A H 0.1974 0.6304 0.5472 0.162 Uiso 0.739(12) 1 calc PR A 1
H93B H 0.0998 0.6181 0.5290 0.162 Uiso 0.739(12) 1 calc PR A 1
H93C H 0.1262 0.6455 0.5850 0.162 Uiso 0.739(12) 1 calc PR A 1
C94 C 0.1295(11) 0.6920(4) 0.5217(6) 0.084(5) Uani 0.739(12) 1 d PDU A 1
H94A H 0.0689 0.7011 0.5139 0.101 Uiso 0.739(12) 1 calc PR A 1
H94B H 0.1568 0.6923 0.4881 0.101 Uiso 0.739(12) 1 calc PR A 1
C95 C 0.1525(8) 0.7802(3) 0.5522(5) 0.073(4) Uani 0.739(12) 1 d PDU A 1
H95A H 0.1761 0.8006 0.5832 0.087 Uiso 0.739(12) 1 calc PR A 1
H95B H 0.0902 0.7848 0.5478 0.087 Uiso 0.739(12) 1 calc PR A 1
C96 C 0.1896(8) 0.7976(5) 0.5028(5) 0.082(4) Uani 0.739(12) 1 d PDU A 1
H96A H 0.2509 0.7916 0.5067 0.123 Uiso 0.739(12) 1 calc PR A 1
H96B H 0.1786 0.8339 0.4975 0.123 Uiso 0.739(12) 1 calc PR A 1
H96C H 0.1634 0.7787 0.4719 0.123 Uiso 0.739(12) 1 calc PR A 1
O11 O 0.1731(6) 0.7270(3) 0.5613(3) 0.069(3) Uani 0.739(12) 1 d PDU A 1
C93A C 0.106(3) 0.6439(12) 0.544(3) 0.071(10) Uani 0.261(12) 1 d PDU A 2
H93D H 0.1608 0.6300 0.5366 0.107 Uiso 0.261(12) 1 calc PR A 2
H93E H 0.0608 0.6297 0.5192 0.107 Uiso 0.261(12) 1 calc PR A 2
H93F H 0.0957 0.6349 0.5808 0.107 Uiso 0.261(12) 1 calc PR A 2
C94A C 0.1071(18) 0.6991(13) 0.5389(16) 0.071(7) Uani 0.261(12) 1 d PDU A 2
H94C H 0.0686 0.7149 0.5628 0.085 Uiso 0.261(12) 1 calc PR A 2
H94D H 0.0885 0.7092 0.5017 0.085 Uiso 0.261(12) 1 calc PR A 2
C95A C 0.214(3) 0.7608(13) 0.5236(13) 0.086(6) Uani 0.261(12) 1 d PDU A 2
H95C H 0.2730 0.7714 0.5346 0.104 Uiso 0.261(12) 1 calc PR A 2
H95D H 0.1763 0.7883 0.5341 0.104 Uiso 0.261(12) 1 calc PR A 2
C96A C 0.203(3) 0.757(2) 0.4643(12) 0.138(14) Uani 0.261(12) 1 d PDU A 2
H96D H 0.1579 0.7329 0.4532 0.207 Uiso 0.261(12) 1 calc PR A 2
H96E H 0.2564 0.7454 0.4517 0.207 Uiso 0.261(12) 1 calc PR A 2
H96F H 0.1884 0.7904 0.4490 0.207 Uiso 0.261(12) 1 calc PR A 2
O11A O 0.196(2) 0.7153(12) 0.5542(7) 0.082(6) Uani 0.261(12) 1 d PDU A 2
C97 C 0.1571(11) 0.5218(6) 0.9166(6) 0.068(4) Uani 0.703(11) 1 d PDU A 1
H97A H 0.1297 0.4892 0.9055 0.081 Uiso 0.703(11) 1 calc PR A 1
H97B H 0.2195 0.5191 0.9170 0.081 Uiso 0.703(11) 1 calc PR A 1
C98 C 0.1310(9) 0.5407(4) 0.9661(6) 0.063(3) Uani 0.703(11) 1 d PDU A 1
H98A H 0.1800 0.5572 0.9867 0.075 Uiso 0.703(11) 1 calc PR A 1
H98B H 0.1130 0.5119 0.9874 0.075 Uiso 0.703(11) 1 calc PR A 1
C99 C 0.0596(9) 0.5779(5) 0.9574(6) 0.083(4) Uani 0.703(11) 1 d PDU A 1
H99A H 0.0039 0.5605 0.9530 0.100 Uiso 0.703(11) 1 calc PR A 1
H99B H 0.0605 0.6023 0.9873 0.100 Uiso 0.703(11) 1 calc PR A 1
C100 C 0.0779(11) 0.6034(6) 0.9073(7) 0.082(4) Uani 0.703(11) 1 d PDU A 1
H10A H 0.0253 0.6124 0.8846 0.098 Uiso 0.703(11) 1 calc PR A 1
H10B H 0.1134 0.6340 0.9143 0.098 Uiso 0.703(11) 1 calc PR A 1
O12 O 0.1216(9) 0.5649(4) 0.8854(4) 0.064(3) Uani 0.703(11) 1 d PDU A 1
C97A C 0.1865(18) 0.4937(9) 0.9279(12) 0.053(7) Uani 0.297(11) 1 d PDU A 2
H97C H 0.1478 0.4670 0.9134 0.079 Uiso 0.297(11) 1 calc PR A 2
H97D H 0.2118 0.4839 0.9635 0.079 Uiso 0.297(11) 1 calc PR A 2
H97E H 0.2315 0.4985 0.9044 0.079 Uiso 0.297(11) 1 calc PR A 2
C98A C 0.141(2) 0.5399(10) 0.9313(9) 0.061(6) Uani 0.297(11) 1 d PDU A 2
H98C H 0.1642 0.5564 0.9649 0.073 Uiso 0.297(11) 1 calc PR A 2
H98D H 0.0817 0.5301 0.9364 0.073 Uiso 0.297(11) 1 calc PR A 2
C99A C 0.099(2) 0.6242(10) 0.9179(11) 0.095(8) Uani 0.297(11) 1 d PDU A 2
H99C H 0.1233 0.6262 0.9555 0.114 Uiso 0.297(11) 1 calc PR A 2
H99D H 0.1139 0.6556 0.8995 0.114 Uiso 0.297(11) 1 calc PR A 2
C10A C 0.0050(19) 0.6197(14) 0.9154(17) 0.121(10) Uani 0.297(11) 1 d PDU A 2
H10D H -0.0189 0.6160 0.8782 0.182 Uiso 0.297(11) 1 calc PR A 2
H10E H -0.0183 0.6502 0.9307 0.182 Uiso 0.297(11) 1 calc PR A 2
H10F H -0.0097 0.5899 0.9358 0.182 Uiso 0.297(11) 1 calc PR A 2
O12A O 0.134(2) 0.5789(8) 0.8913(8) 0.070(6) Uani 0.297(11) 1 d PDU A 2
K1 K 0.13929(11) 0.95575(5) 0.77725(6) 0.0472(4) Uani 1 1 d D . .
K2 K 0.38773(11) 0.83237(5) 0.81809(7) 0.0473(4) Uani 1 1 d D . .
K3 K 0.24818(10) 0.71106(5) 0.65894(7) 0.0446(4) Uani 1 1 d D . .
K4 K 0.18291(11) 0.58165(5) 0.79430(7) 0.0482(5) Uani 1 1 d D . .
N1 N 0.0126(3) 1.07200(17) 0.6388(2) 0.0269(12) Uani 1 1 d . . .
N2 N 0.2915(4) 0.9430(2) 0.9568(2) 0.0382(14) Uani 1 1 d . . .
N3 N 0.4424(3) 0.8227(2) 0.6168(2) 0.0336(13) Uani 1 1 d . . .
N4 N -0.0277(3) 0.69682(18) 0.7546(2) 0.0324(13) Uani 1 1 d . . .
O1 O 0.2245(3) 1.05666(15) 0.79196(18) 0.0410(12) Uani 1 1 d . . .
O2 O 0.1915(3) 1.11075(16) 0.85940(19) 0.0483(13) Uani 1 1 d . . .
O4 O 0.3123(3) 0.93042(16) 0.76562(18) 0.0446(13) Uani 1 1 d . A .
O5 O 0.4009(3) 0.99193(16) 0.73881(19) 0.0495(13) Uani 1 1 d . . .
O6 O 0.1268(3) 0.86313(15) 0.72944(17) 0.0354(11) Uani 1 1 d . A .
O7 O 0.2422(3) 0.81103(14) 0.75235(17) 0.0300(10) Uani 1 1 d . A .
O9 O 0.3397(3) 0.73090(15) 0.84053(18) 0.0391(12) Uani 1 1 d . A .
O10 O 0.2814(3) 0.68872(15) 0.76571(18) 0.0382(12) Uani 1 1 d . A .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N1 Ge1 C1 82.4(2) . .
N1 Ge1 K4 130.89(14) . 2_556
C1 Ge1 K4 78.8(2) . 2_556
N1 Ge1 K1 126.69(15) . .
C1 Ge1 K1 68.54(18) . .
K4 Ge1 K1 87.01(4) 2_556 .
N2 Ge2 C22 82.5(3) . .
N2 Ge2 K1 126.15(17) . .
C22 Ge2 K1 75.5(2) . .
N2 Ge2 K2 123.75(18) . .
C22 Ge2 K2 68.09(19) . .
K1 Ge2 K2 92.20(4) . .
N3 Ge3 C43 82.3(2) . .
N3 Ge3 K3 106.30(17) . .
C43 Ge3 K3 65.29(18) . .
N3 Ge3 K2 138.00(16) . .
C43 Ge3 K2 77.68(19) . .
K3 Ge3 K2 98.24(4) . .
N4 Ge4 C64 82.4(3) . .
N4 Ge4 K4 110.88(16) . .
C64 Ge4 K4 63.16(17) . .
N4 Ge4 K3 144.37(15) . .
C64 Ge4 K3 82.8(2) . .
K4 Ge4 K3 90.70(4) . .
C2 C1 C7 113.1(6) . .
C2 C1 Ge1 133.8(5) . .
C7 C1 Ge1 112.9(5) . .
C2 C1 K1 72.6(3) . .
C7 C1 K1 133.6(4) . .
Ge1 C1 K1 79.15(18) . .
C4 C2 C1 126.2(6) . .
C4 C2 O1 109.3(6) . .
C1 C2 O1 124.0(6) . .
C4 C2 K1 126.9(5) . .
C1 C2 K1 83.1(4) . .
O1 C2 K1 68.2(3) . .
C4 C2 K4 129.1(5) . 2_556
C1 C2 K4 84.8(4) . 2_556
O1 C2 K4 51.2(3) . 2_556
K1 C2 K4 92.04(17) . 2_556
O2 C3 O1 106.4(5) . .
O2 C3 H3A 110.4 . .
O1 C3 H3A 110.4 . .
O2 C3 H3B 110.4 . .
O1 C3 H3B 110.4 . .
H3A C3 H3B 108.6 . .
C2 C4 C5 120.8(7) . .
C2 C4 O2 110.4(6) . .
C5 C4 O2 128.1(6) . .
C2 C4 K3 114.6(5) . 2_556
C5 C4 K3 93.3(4) . 2_556
O2 C4 K3 55.9(3) . 2_556
C6 C5 C4 117.8(6) . .
C6 C5 H5 121.1 . .
C4 C5 H5 121.1 . .
C5 C6 C7 122.3(7) . .
C5 C6 H6 118.8 . .
C7 C6 H6 118.8 . .
C8 C7 C6 125.9(6) . .
C8 C7 C1 114.1(6) . .
C6 C7 C1 119.8(6) . .
C7 C8 N1 113.7(6) . .
C7 C8 C9 127.1(6) . .
N1 C8 C9 119.1(6) . .
C8 C9 H9A 109.5 . .
C8 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C8 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C11 C10 C18 120.7(6) . .
C11 C10 N1 119.4(5) . .
C18 C10 N1 119.8(5) . .
C15 C11 C10 118.7(6) . .
C15 C11 C12 120.0(6) . .
C10 C11 C12 121.3(6) . .
C11 C12 C14 112.5(6) . .
C11 C12 C13 112.7(6) . .
C14 C12 C13 109.3(6) . .
C11 C12 H12 107.4 . .
C14 C12 H12 107.4 . .
C13 C12 H12 107.4 . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C12 C14 H14A 109.5 . .
C12 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C12 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C11 C15 C16 121.0(6) . .
C11 C15 H15 119.5 . .
C16 C15 H15 119.5 . .
C17 C16 C15 119.5(7) . .
C17 C16 H16 120.2 . .
C15 C16 H16 120.2 . .
C16 C17 C18 121.5(6) . .
C16 C17 H17 119.3 . .
C18 C17 H17 119.3 . .
C17 C18 C10 118.4(6) . .
C17 C18 C19 121.4(6) . .
C10 C18 C19 120.2(6) . .
C21 C19 C18 112.3(6) . .
C21 C19 C20 108.9(6) . .
C18 C19 C20 111.2(7) . .
C21 C19 H19 108.1 . .
C18 C19 H19 108.1 . .
C20 C19 H19 108.1 . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C19 C21 H21A 109.5 . .
C19 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C19 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C23 C22 C28 114.0(6) . .
C23 C22 Ge2 133.1(5) . .
C28 C22 Ge2 112.7(5) . .
C23 C22 K2 73.4(4) . .
C28 C22 K2 130.7(4) . .
Ge2 C22 K2 79.95(19) . .
C25 C23 O4 109.5(6) . .
C25 C23 C22 125.0(7) . .
O4 C23 C22 125.0(6) . .
C25 C23 K2 126.6(5) . .
O4 C23 K2 70.4(3) . .
C22 C23 K2 82.3(4) . .
C25 C23 K1 124.1(5) . .
O4 C23 K1 55.8(3) . .
C22 C23 K1 85.3(4) . .
K2 C23 K1 100.50(19) . .
O5 C24 O4 105.1(5) . .
O5 C24 H24A 110.7 . .
O4 C24 H24A 110.7 . .
O5 C24 H24B 110.7 . .
O4 C24 H24B 110.7 . .
H24A C24 H24B 108.8 . .
C23 C25 O5 109.7(6) . .
C23 C25 C26 122.3(7) . .
O5 C25 C26 127.4(6) . .
C23 C25 K4 116.1(5) . 2_556
O5 C25 K4 49.5(3) . 2_556
C26 C25 K4 97.2(4) . 2_556
C27 C26 C25 116.5(7) . .
C27 C26 H26 121.7 . .
C25 C26 H26 121.7 . .
C26 C27 C28 122.7(7) . .
C26 C27 H27 118.6 . .
C28 C27 H27 118.6 . .
C29 C28 C27 126.5(7) . .
C29 C28 C22 113.8(6) . .
C27 C28 C22 119.5(7) . .
N2 C29 C28 113.9(6) . .
N2 C29 C30 120.2(6) . .
C28 C29 C30 125.8(6) . .
C29 C30 H30A 109.5 . .
C29 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C29 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C39 C31 C32 121.5(7) . .
C39 C31 N2 120.4(7) . .
C32 C31 N2 118.1(7) . .
C36 C32 C31 117.6(8) . .
C36 C32 C33 119.8(8) . .
C31 C32 C33 122.5(7) . .
C32 C33 C35 111.4(9) . .
C32 C33 C34 112.8(7) . .
C35 C33 C34 110.9(8) . .
C32 C33 H33 107.1 . .
C35 C33 H33 107.1 . .
C34 C33 H33 107.1 . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C33 C35 H35A 109.5 . .
C33 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C33 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C37 C36 C32 120.7(9) . .
C37 C36 H36 119.7 . .
C32 C36 H36 119.7 . .
C38 C37 C36 120.7(9) . .
C38 C37 H37 119.7 . .
C36 C37 H37 119.7 . .
C37 C38 C39 122.3(10) . .
C37 C38 H38 118.9 . .
C39 C38 H38 118.9 . .
C38 C39 C31 117.2(9) . .
C38 C39 C40 121.3(8) . .
C31 C39 C40 121.5(7) . .
C41 C40 C42 108.6(7) . .
C41 C40 C39 111.5(7) . .
C42 C40 C39 110.0(8) . .
C41 C40 H40 108.9 . .
C42 C40 H40 108.9 . .
C39 C40 H40 108.9 . .
C40 C41 H41A 109.5 . .
C40 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
C40 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
C40 C42 H42A 109.5 . .
C40 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C40 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
C44 C43 C49 113.2(6) . .
C44 C43 Ge3 133.7(5) . .
C49 C43 Ge3 113.0(4) . .
C44 C43 K3 82.1(3) . .
C49 C43 K3 114.5(4) . .
Ge3 C43 K3 81.80(19) . .
C46 C44 C43 124.9(6) . .
C46 C44 O7 109.2(5) . .
C43 C44 O7 125.5(6) . .
C46 C44 K3 119.7(4) . .
C43 C44 K3 73.6(3) . .
O7 C44 K3 86.4(3) . .
C46 C44 K2 129.1(4) . .
C43 C44 K2 89.0(4) . .
O7 C44 K2 47.5(3) . .
K3 C44 K2 104.77(17) . .
O7 C45 O6 106.8(5) . .
O7 C45 H45A 110.4 . .
O6 C45 H45A 110.4 . .
O7 C45 H45B 110.4 . .
O6 C45 H45B 110.4 . .
H45A C45 H45B 108.6 . .
C44 C46 C47 122.3(6) . .
C44 C46 O6 110.6(6) . .
C47 C46 O6 126.6(6) . .
C44 C46 K1 116.5(5) . .
C47 C46 K1 98.7(4) . .
O6 C46 K1 47.2(3) . .
C48 C47 C46 116.6(6) . .
C48 C47 H47 121.7 . .
C46 C47 H47 121.7 . .
C47 C48 C49 122.2(6) . .
C47 C48 H48 118.9 . .
C49 C48 H48 118.9 . .
C50 C49 C48 125.5(6) . .
C50 C49 C43 113.7(6) . .
C48 C49 C43 120.8(6) . .
N3 C50 C49 114.3(6) . .
N3 C50 C51 121.1(6) . .
C49 C50 C51 124.6(6) . .
C50 C51 H51A 109.5 . .
C50 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
C50 C51 H51C 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
C53 C52 N3 118.7(6) . .
C53 C52 C60 120.8(6) . .
N3 C52 C60 120.5(6) . .
C52 C53 C57 118.6(7) . .
C52 C53 C54 121.4(7) . .
C57 C53 C54 120.0(7) . .
C53 C54 C55 113.7(8) . .
C53 C54 C56 111.1(8) . .
C55 C54 C56 110.9(7) . .
C53 C54 H54 106.9 . .
C55 C54 H54 106.9 . .
C56 C54 H54 106.9 . .
C54 C55 H55A 109.5 . .
C54 C55 H55B 109.5 . .
H55A C55 H55B 109.5 . .
C54 C55 H55C 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
C54 C56 H56A 109.5 . .
C54 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
C54 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
C58 C57 C53 120.9(8) . .
C58 C57 H57 119.5 . .
C53 C57 H57 119.5 . .
C57 C58 C59 120.7(8) . .
C57 C58 H58 119.6 . .
C59 C58 H58 119.6 . .
C58 C59 C60 120.9(8) . .
C58 C59 H59 119.5 . .
C60 C59 H59 119.5 . .
C59 C60 C52 118.0(7) . .
C59 C60 C61 119.7(7) . .
C52 C60 C61 122.3(6) . .
C63 C61 C60 113.0(8) . .
C63 C61 C62 109.6(8) . .
C60 C61 C62 109.8(8) . .
C63 C61 H61 108.1 . .
C60 C61 H61 108.1 . .
C62 C61 H61 108.1 . .
C61 C62 H62A 109.5 . .
C61 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
C61 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
C61 C63 H63A 109.5 . .
C61 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
C61 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
C65 C64 C70 112.6(6) . .
C65 C64 Ge4 133.3(5) . .
C70 C64 Ge4 113.7(5) . .
C65 C64 K4 79.8(3) . .
C70 C64 K4 118.7(4) . .
Ge4 C64 K4 83.68(19) . .
C67 C65 C64 125.1(6) . .
C67 C65 O10 109.1(6) . .
C64 C65 O10 125.3(6) . .
C67 C65 K4 122.2(4) . .
C64 C65 K4 74.8(3) . .
O10 C65 K4 83.2(3) . .
O9 C66 O10 105.8(5) . .
O9 C66 H66A 110.6 . .
O10 C66 H66A 110.6 . .
O9 C66 H66B 110.6 . .
O10 C66 H66B 110.6 . .
H66A C66 H66B 108.7 . .
C65 C67 C68 122.6(7) . .
C65 C67 O9 110.3(6) . .
C68 C67 O9 126.7(6) . .
C69 C68 C67 115.9(6) . .
C69 C68 H68 122.0 . .
C67 C68 H68 122.0 . .
C68 C69 C70 122.7(7) . .
C68 C69 H69 118.6 . .
C70 C69 H69 118.6 . .
C71 C70 C69 125.9(6) . .
C71 C70 C64 112.9(6) . .
C69 C70 C64 121.0(6) . .
N4 C71 C70 114.1(6) . .
N4 C71 C72 121.3(6) . .
C70 C71 C72 124.6(6) . .
C71 C72 H72A 109.5 . .
C71 C72 H72B 109.5 . .
H72A C72 H72B 109.5 . .
C71 C72 H72C 109.5 . .
H72A C72 H72C 109.5 . .
H72B C72 H72C 109.5 . .
C81 C73 C74 120.7(6) . .
C81 C73 N4 119.0(5) . .
C74 C73 N4 120.2(6) . .
C78 C74 C73 118.2(6) . .
C78 C74 C75 120.7(6) . .
C73 C74 C75 121.1(7) . .
C76 C75 C77 110.7(7) . .
C76 C75 C74 111.8(7) . .
C77 C75 C74 111.1(7) . .
C76 C75 H75 107.7 . .
C77 C75 H75 107.7 . .
C74 C75 H75 107.7 . .
C75 C76 H76A 109.5 . .
C75 C76 H76B 109.5 . .
H76A C76 H76B 109.5 . .
C75 C76 H76C 109.5 . .
H76A C76 H76C 109.5 . .
H76B C76 H76C 109.5 . .
C75 C77 H77A 109.5 . .
C75 C77 H77B 109.5 . .
H77A C77 H77B 109.5 . .
C75 C77 H77C 109.5 . .
H77A C77 H77C 109.5 . .
H77B C77 H77C 109.5 . .
C79 C78 C74 121.7(7) . .
C79 C78 H78 119.1 . .
C74 C78 H78 119.1 . .
C78 C79 C80 119.3(7) . .
C78 C79 H79 120.4 . .
C80 C79 H79 120.4 . .
C81 C80 C79 121.8(6) . .
C81 C80 H80 119.1 . .
C79 C80 H80 119.1 . .
C80 C81 C73 118.1(6) . .
C80 C81 C82 120.6(6) . .
C73 C81 C82 121.3(6) . .
C84 C82 C81 111.5(6) . .
C84 C82 C83 112.1(6) . .
C81 C82 C83 110.7(6) . .
C84 C82 H82 107.4 . .
C81 C82 H82 107.4 . .
C83 C82 H82 107.4 . .
C82 C83 H83A 109.5 . .
C82 C83 H83B 109.5 . .
H83A C83 H83B 109.5 . .
C82 C83 H83C 109.5 . .
H83A C83 H83C 109.5 . .
H83B C83 H83C 109.5 . .
C82 C84 H84A 109.5 . .
C82 C84 H84B 109.5 . .
H84A C84 H84B 109.5 . .
C82 C84 H84C 109.5 . .
H84A C84 H84C 109.5 . .
H84B C84 H84C 109.5 . .
C85 C86 O3 106.6(13) . .
C85 C86 H86A 110.4 . .
O3 C86 H86A 110.4 . .
C85 C86 H86B 110.4 . .
O3 C86 H86B 110.4 . .
H86A C86 H86B 108.6 . .
O3 C87 C88 109.8(10) . .
O3 C87 H87A 109.7 . .
C88 C87 H87A 109.7 . .
O3 C87 H87B 109.7 . .
C88 C87 H87B 109.7 . .
H87A C87 H87B 108.2 . .
C87 O3 C86 108.3(9) . .
C87 O3 K1 135.1(7) . .
C86 O3 K1 111.9(7) . .
C86A C85A H85D 109.5 . .
C86A C85A H85E 109.5 . .
H85D C85A H85E 109.5 . .
C86A C85A H85F 109.5 . .
H85D C85A H85F 109.5 . .
H85E C85A H85F 109.5 . .
C85A C86A O3A 105(2) . .
C85A C86A H86C 110.7 . .
O3A C86A H86C 110.7 . .
C85A C86A H86D 110.7 . .
O3A C86A H86D 110.7 . .
H86C C86A H86D 108.8 . .
O3A C87A C88A 127(3) . .
O3A C87A H87C 105.6 . .
C88A C87A H87C 105.6 . .
O3A C87A H87D 105.6 . .
C88A C87A H87D 105.6 . .
H87C C87A H87D 106.1 . .
C87A C88A H88D 109.5 . .
C87A C88A H88E 109.5 . .
H88D C88A H88E 109.5 . .
C87A C88A H88F 109.5 . .
H88D C88A H88F 109.5 . .
H88E C88A H88F 109.5 . .
C87A O3A C86A 108.4(15) . .
C87A O3A K1 123.9(18) . .
C86A O3A K1 126.2(13) . .
O8 C90 C89 112.0(9) . .
O8 C90 H90A 109.2 . .
C89 C90 H90A 109.2 . .
O8 C90 H90B 109.2 . .
C89 C90 H90B 109.2 . .
H90A C90 H90B 107.9 . .
O8 C91 C92 105.5(9) . .
O8 C91 H91A 110.6 . .
C92 C91 H91A 110.6 . .
O8 C91 H91B 110.6 . .
C92 C91 H91B 110.6 . .
H91A C91 H91B 108.8 . .
C90 O8 C91 111.7(8) . .
C90 O8 K2 120.9(6) . .
C91 O8 K2 127.3(6) . .
C90A C89A O8A 94(2) . .
C90A C89A H89D 113.0 . .
O8A C89A H89D 113.0 . .
C90A C89A H89E 113.0 . .
O8A C89A H89E 113.0 . .
H89D C89A H89E 110.4 . .
C89A C90A C91A 112(2) . .
C89A C90A H90C 109.2 . .
C91A C90A H90C 109.2 . .
C89A C90A H90D 109.2 . .
C91A C90A H90D 109.2 . .
H90C C90A H90D 107.9 . .
C92A C91A C90A 105(2) . .
C92A C91A H91C 110.8 . .
C90A C91A H91C 110.8 . .
C92A C91A H91D 110.8 . .
C90A C91A H91D 110.8 . .
H91C C91A H91D 108.9 . .
O8A C92A C91A 96(2) . .
O8A C92A H92D 112.5 . .
C91A C92A H92D 112.5 . .
O8A C92A H92E 112.5 . .
C91A C92A H92E 112.5 . .
H92D C92A H92E 110.0 . .
C92A O8A C89A 117(3) . .
C92A O8A K2 111(3) . .
C89A O8A K2 108(3) . .
C93 C94 O11 103.6(12) . .
C93 C94 H94A 111.0 . .
O11 C94 H94A 111.0 . .
C93 C94 H94B 111.0 . .
O11 C94 H94B 111.0 . .
H94A C94 H94B 109.0 . .
O11 C95 C96 109.0(10) . .
O11 C95 H95A 109.9 . .
C96 C95 H95A 109.9 . .
O11 C95 H95B 109.9 . .
C96 C95 H95B 109.9 . .
H95A C95 H95B 108.3 . .
C95 O11 C94 114.6(8) . .
C95 O11 K3 111.8(6) . .
C94 O11 K3 131.3(7) . .
C94A C93A H93D 109.5 . .
C94A C93A H93E 109.5 . .
H93D C93A H93E 109.5 . .
C94A C93A H93F 109.5 . .
H93D C93A H93F 109.5 . .
H93E C93A H93F 109.5 . .
C93A C94A O11A 106(2) . .
C93A C94A H94C 110.5 . .
O11A C94A H94C 110.5 . .
C93A C94A H94D 110.5 . .
O11A C94A H94D 110.5 . .
H94C C94A H94D 108.7 . .
O11A C95A C96A 118(2) . .
O11A C95A H95C 107.9 . .
C96A C95A H95C 107.9 . .
O11A C95A H95D 107.9 . .
C96A C95A H95D 107.9 . .
H95C C95A H95D 107.2 . .
C95A C96A H96D 109.5 . .
C95A C96A H96E 109.5 . .
H96D C96A H96E 109.5 . .
C95A C96A H96F 109.5 . .
H96D C96A H96F 109.5 . .
H96E C96A H96F 109.5 . .
C95A O11A C94A 108.8(18) . .
C95A O11A K3 119.8(17) . .
C94A O11A K3 115(2) . .
C98 C97 O12 93.9(11) . .
C98 C97 H97A 112.9 . .
O12 C97 H97A 112.9 . .
C98 C97 H97B 112.9 . .
O12 C97 H97B 112.9 . .
H97A C97 H97B 110.4 . .
C97 C98 C99 112.4(13) . .
C97 C98 H98A 109.1 . .
C99 C98 H98A 109.1 . .
C97 C98 H98B 109.1 . .
C99 C98 H98B 109.1 . .
H98A C98 H98B 107.9 . .
C100 C99 C98 102.2(11) . .
C100 C99 H99A 111.3 . .
C98 C99 H99A 111.3 . .
C100 C99 H99B 111.3 . .
C98 C99 H99B 111.3 . .
H99A C99 H99B 109.2 . .
O12 C100 C99 99.0(12) . .
O12 C100 H10A 112.0 . .
C99 C100 H10A 112.0 . .
O12 C100 H10B 112.0 . .
C99 C100 H10B 112.0 . .
H10A C100 H10B 109.6 . .
C100 O12 C97 122.7(11) . .
C100 O12 K4 118.3(8) . .
C97 O12 K4 116.5(9) . .
C98A C97A H97C 109.5 . .
C98A C97A H97D 109.5 . .
H97C C97A H97D 109.5 . .
C98A C97A H97E 109.5 . .
H97C C97A H97E 109.5 . .
H97D C97A H97E 109.5 . .
C97A C98A O12A 124.6(18) . .
C97A C98A H98C 106.2 . .
O12A C98A H98C 106.2 . .
C97A C98A H98D 106.2 . .
O12A C98A H98D 106.2 . .
H98C C98A H98D 106.4 . .
C10A C99A O12A 110(2) . .
C10A C99A H99C 109.7 . .
O12A C99A H99C 109.7 . .
C10A C99A H99D 109.7 . .
O12A C99A H99D 109.7 . .
H99C C99A H99D 108.2 . .
C99A C10A H10D 109.5 . .
C99A C10A H10E 109.5 . .
H10D C10A H10E 109.5 . .
C99A C10A H10F 109.5 . .
H10D C10A H10F 109.5 . .
H10E C10A H10F 109.5 . .
C98A O12A C99A 105.0(16) . .
C98A O12A K4 131.6(11) . .
C99A O12A K4 123.1(11) . .
O3 K1 O3A 8.4(6) . .
O3 K1 O6 90.9(4) . .
O3A K1 O6 86.1(10) . .
O3 K1 O4 159.1(2) . .
O3A K1 O4 150.8(5) . .
O6 K1 O4 76.85(13) . .
O3 K1 O1 117.6(4) . .
O3A K1 O1 123.3(9) . .
O6 K1 O1 149.93(14) . .
O4 K1 O1 78.24(13) . .
O3 K1 C2 95.5(3) . .
O3A K1 C2 102.6(8) . .
O6 K1 C2 154.70(17) . .
O4 K1 C2 102.80(16) . .
O1 K1 C2 26.12(15) . .
O3 K1 C1 90.7(3) . .
O3A K1 C1 99.0(5) . .
O6 K1 C1 131.61(15) . .
O4 K1 C1 110.09(15) . .
O1 K1 C1 45.60(14) . .
C2 K1 C1 24.29(16) . .
O3 K1 C23 149.7(4) . .
O3A K1 C23 143.8(8) . .
O6 K1 C23 97.06(15) . .
O4 K1 C23 23.60(14) . .
O1 K1 C23 63.58(14) . .
C2 K1 C23 89.70(17) . .
C1 K1 C23 105.20(16) . .
O3 K1 C46 110.6(5) . .
O3A K1 C46 107.0(10) . .
O6 K1 C46 22.37(13) . .
O4 K1 C46 61.69(15) . .
O1 K1 C46 127.76(15) . .
C2 K1 C46 136.59(17) . .
C1 K1 C46 118.37(16) . .
C23 K1 C46 84.67(17) . .
O3 K1 Ge1 103.7(3) . .
O3A K1 Ge1 111.4(6) . .
O6 K1 Ge1 101.20(10) . .
O4 K1 Ge1 95.28(10) . .
O1 K1 Ge1 64.64(9) . .
C2 K1 Ge1 53.50(13) . .
C1 K1 Ge1 32.31(11) . .
C23 K1 Ge1 103.32(12) . .
C46 K1 Ge1 86.06(11) . .
O3 K1 Ge2 98.4(3) . .
O3A K1 Ge2 91.7(7) . .
O6 K1 Ge2 92.30(10) . .
O4 K1 Ge2 65.82(10) . .
O1 K1 Ge2 92.66(10) . .
C2 K1 Ge2 110.85(14) . .
C1 K1 Ge2 135.13(12) . .
C23 K1 Ge2 52.25(12) . .
C46 K1 Ge2 99.29(12) . .
Ge1 K1 Ge2 153.76(6) . .
O3 K1 K4 139.2(2) . 2_556
O3A K1 K4 147.3(6) . 2_556
O6 K1 K4 118.14(10) . 2_556
O4 K1 K4 61.38(9) . 2_556
O1 K1 K4 32.84(9) . 2_556
C2 K1 K4 46.23(13) . 2_556
C1 K1 K4 48.79(11) . 2_556
C23 K1 K4 59.61(12) . 2_556
C46 K1 K4 95.79(11) . 2_556
Ge1 K1 K4 46.10(3) . 2_556
Ge2 K1 K4 107.66(5) . 2_556
O8A K2 O8 46.4(13) . .
O8A K2 O7 143.7(13) . .
O8 K2 O7 161.99(19) . .
O8A K2 O9 70.9(13) . .
O8 K2 O9 113.92(19) . .
O7 K2 O9 72.78(13) . .
O8A K2 O4 145.4(13) . .
O8 K2 O4 105.68(19) . .
O7 K2 O4 69.56(13) . .
O9 K2 O4 140.40(15) . .
O8A K2 C23 120.8(13) . .
O8 K2 C23 87.3(2) . .
O7 K2 C23 92.29(16) . .
O9 K2 C23 152.80(17) . .
O4 K2 C23 25.03(15) . .
O8A K2 C22 105.9(12) . .
O8 K2 C22 87.9(2) . .
O7 K2 C22 99.08(15) . .
O9 K2 C22 134.03(16) . .
O4 K2 C22 44.69(14) . .
C23 K2 C22 24.27(16) . .
O8A K2 C44 156.4(12) . .
O8 K2 C44 140.8(2) . .
O7 K2 C44 22.10(12) . .
O9 K2 C44 89.93(14) . .
O4 K2 C44 57.60(13) . .
C23 K2 C44 82.55(17) . .
C22 K2 C44 97.32(16) . .
O8A K2 Ge2 102.2(11) . .
O8 K2 Ge2 108.34(17) . .
O7 K2 Ge2 85.42(9) . .
O9 K2 Ge2 102.34(11) . .
O4 K2 Ge2 63.23(9) . .
C23 K2 Ge2 52.82(13) . .
C22 K2 Ge2 31.96(11) . .
C44 K2 Ge2 95.21(11) . .
O8A K2 Ge3 113.3(11) . .
O8 K2 Ge3 97.13(17) . .
O7 K2 Ge3 65.66(9) . .
O9 K2 Ge3 88.88(10) . .
O4 K2 Ge3 86.61(9) . .
C23 K2 Ge3 105.86(13) . .
C22 K2 Ge3 129.88(13) . .
C44 K2 Ge3 50.68(10) . .
Ge2 K2 Ge3 144.47(5) . .
O11 K3 O11A 11.3(8) . .
O11 K3 O10 164.3(3) . .
O11A K3 O10 168.2(6) . .
O11 K3 O2 97.0(2) . 2_546
O11A K3 O2 87.3(7) . 2_546
O10 K3 O2 85.77(13) . 2_546
O11 K3 C43 93.3(2) . .
O11A K3 C43 97.2(6) . .
O10 K3 C43 94.28(15) . .
O2 K3 C43 140.34(16) 2_546 .
O11 K3 C44 97.4(2) . .
O11A K3 C44 105.2(7) . .
O10 K3 C44 84.17(14) . .
O2 K3 C44 159.71(17) 2_546 .
C43 K3 C44 24.30(15) . .
O11 K3 C4 118.5(3) . 2_546
O11A K3 C4 107.9(8) . 2_546
O10 K3 C4 67.83(15) . 2_546
O2 K3 C4 23.88(14) 2_546 2_546
C43 K3 C4 122.96(18) . 2_546
C44 K3 C4 136.57(18) . 2_546
O11 K3 Ge3 110.1(2) . .
O11A K3 Ge3 108.0(6) . .
O10 K3 Ge3 83.39(10) . .
O2 K3 Ge3 108.41(12) 2_546 .
C43 K3 Ge3 32.91(11) . .
C44 K3 Ge3 52.91(11) . .
C4 K3 Ge3 90.13(13) 2_546 .
O11 K3 Ge4 97.4(2) . .
O11A K3 Ge4 104.3(7) . .
O10 K3 Ge4 66.99(10) . .
O2 K3 Ge4 96.24(11) 2_546 .
C43 K3 Ge4 120.28(12) . .
C44 K3 Ge4 95.98(11) . .
C4 K3 Ge4 102.18(13) 2_546 .
Ge3 K3 Ge4 139.86(5) . .
O11 K3 K4 129.4(2) . .
O11A K3 K4 129.4(6) . .
O10 K3 K4 38.76(9) . .
O2 K3 K4 64.91(10) 2_546 .
C43 K3 K4 131.55(12) . .
C44 K3 K4 114.97(11) . .
C4 K3 K4 60.68(12) 2_546 .
Ge3 K3 K4 120.37(5) . .
Ge4 K3 K4 44.33(3) . .
O12 K4 O12A 9.6(8) . .
O12 K4 O5 84.9(3) . 2_546
O12A K4 O5 94.5(7) . 2_546
O12 K4 O1 154.7(3) . 2_546
O12A K4 O1 158.6(6) . 2_546
O5 K4 O1 80.85(13) 2_546 2_546
O12 K4 C64 97.3(3) . .
O12A K4 C64 90.8(5) . .
O5 K4 C64 132.25(17) 2_546 .
O1 K4 C64 107.81(16) 2_546 .
O12 K4 C65 102.8(3) . .
O12A K4 C65 94.0(5) . .
O5 K4 C65 156.20(17) 2_546 .
O1 K4 C65 98.58(16) 2_546 .
C64 K4 C65 25.40(16) . .
O12 K4 O10 123.7(3) . .
O12A K4 O10 114.2(6) . .
O5 K4 O10 150.27(14) 2_546 .
O1 K4 O10 74.96(12) 2_546 .
C64 K4 O10 44.87(15) . .
C65 K4 O10 24.53(14) . .
O12 K4 Ge1 95.9(3) . 2_546
O12A K4 Ge1 94.0(7) . 2_546
O5 K4 Ge1 101.28(11) 2_546 2_546
O1 K4 Ge1 66.82(10) 2_546 2_546
C64 K4 Ge1 125.65(14) . 2_546
C65 K4 Ge1 100.26(13) . 2_546
O10 K4 Ge1 84.93(8) . 2_546
O12 K4 C2 147.7(3) . 2_546
O12A K4 C2 144.5(8) . 2_546
O5 K4 C2 101.14(15) 2_546 2_546
O1 K4 C2 23.07(14) 2_546 2_546
C64 K4 C2 101.41(17) . 2_546
C65 K4 C2 84.41(16) . 2_546
O10 K4 C2 59.91(13) . 2_546
Ge1 K4 C2 51.86(12) 2_546 2_546
O12 K4 C25 106.2(3) . 2_546
O12A K4 C25 115.7(7) . 2_546
O5 K4 C25 22.25(15) 2_546 2_546
O1 K4 C25 63.68(15) 2_546 2_546
C64 K4 C25 121.21(18) . 2_546
C65 K4 C25 139.00(18) . 2_546
O10 K4 C25 128.03(16) . 2_546
Ge1 K4 C25 104.81(12) 2_546 2_546
C2 K4 C25 86.17(16) 2_546 2_546
O12 K4 Ge4 111.8(3) . .
O12A K4 Ge4 109.7(6) . .
O5 K4 Ge4 102.16(12) 2_546 .
O1 K4 Ge4 91.72(10) 2_546 .
C64 K4 Ge4 33.16(12) . .
C65 K4 Ge4 54.05(12) . .
O10 K4 Ge4 62.16(8) . .
Ge1 K4 Ge4 144.96(6) 2_546 .
C2 K4 Ge4 98.01(12) 2_546 .
C25 K4 Ge4 88.17(13) 2_546 .
O12 K4 K1 119.6(2) . 2_546
O12A K4 K1 124.3(5) . 2_546
O5 K4 K1 65.38(10) 2_546 2_546
O1 K4 K1 35.08(9) 2_546 2_546
C64 K4 K1 141.90(13) . 2_546
C65 K4 K1 125.75(14) . 2_546
O10 K4 K1 101.44(9) . 2_546
Ge1 K4 K1 46.89(3) 2_546 2_546
C2 K4 K1 41.73(10) 2_546 2_546
C25 K4 K1 60.03(12) 2_546 2_546
Ge4 K4 K1 124.75(5) . 2_546
C8 N1 C10 122.2(5) . .
C8 N1 Ge1 116.9(4) . .
C10 N1 Ge1 121.0(4) . .
C29 N2 C31 120.2(6) . .
C29 N2 Ge2 117.2(5) . .
C31 N2 Ge2 122.3(4) . .
C50 N3 C52 120.3(5) . .
C50 N3 Ge3 116.7(4) . .
C52 N3 Ge3 122.4(4) . .
C71 N4 C73 118.3(5) . .
C71 N4 Ge4 116.8(5) . .
C73 N4 Ge4 124.8(4) . .
C2 O1 C3 102.8(5) . .
C2 O1 K4 105.7(4) . 2_556
C3 O1 K4 131.3(4) . 2_556
C2 O1 K1 85.7(3) . .
C3 O1 K1 108.7(4) . .
K4 O1 K1 112.08(15) 2_556 .
C4 O2 C3 103.0(5) . .
C4 O2 K3 100.2(3) . 2_556
C3 O2 K3 121.1(4) . 2_556
C23 O4 C24 104.1(5) . .
C23 O4 K1 100.6(4) . .
C24 O4 K1 128.0(4) . .
C23 O4 K2 84.6(4) . .
C24 O4 K2 108.4(4) . .
K1 O4 K2 118.93(14) . .
C25 O5 C24 103.6(5) . .
C25 O5 K4 108.2(4) . 2_556
C24 O5 K4 118.5(4) . 2_556
C46 O6 C45 101.2(4) . .
C46 O6 K1 110.4(3) . .
C45 O6 K1 118.6(4) . .
C44 O7 C45 103.3(5) . .
C44 O7 K2 110.4(3) . .
C45 O7 K2 130.0(4) . .
C67 O9 C66 102.6(5) . .
C67 O9 K2 113.0(3) . .
C66 O9 K2 115.3(4) . .
C65 O10 C66 103.6(5) . .
C65 O10 K3 115.6(4) . .
C66 O10 K3 131.1(4) . .
C65 O10 K4 72.3(3) . .
C66 O10 K4 108.8(4) . .
K3 O10 K4 110.19(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ge1 N1 1.916(5) .
Ge1 C1 1.919(6) .
Ge1 K4 3.4798(17) 2_556
Ge1 K1 3.5252(17) .
Ge2 N2 1.916(5) .
Ge2 C22 1.926(6) .
Ge2 K1 3.5357(19) .
Ge2 K2 3.5838(18) .
Ge3 N3 1.927(5) .
Ge3 C43 1.935(6) .
Ge3 K3 3.5246(17) .
Ge3 K2 3.6461(18) .
Ge4 N4 1.913(5) .
Ge4 C64 1.926(7) .
Ge4 K4 3.5000(17) .
Ge4 K3 3.5400(18) .
C1 C2 1.384(9) .
C1 C7 1.464(9) .
C1 K1 3.341(6) .
C2 C4 1.361(9) .
C2 O1 1.418(8) .
C2 K1 3.212(6) .
C2 K4 3.485(7) 2_556
C3 O2 1.438(8) .
C3 O1 1.458(8) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 C5 1.392(10) .
C4 O2 1.401(8) .
C4 K3 3.407(7) 2_556
C5 C6 1.355(10) .
C5 H5 0.9500 .
C6 C7 1.436(9) .
C6 H6 0.9500 .
C7 C8 1.375(9) .
C8 N1 1.377(8) .
C8 C9 1.508(9) .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 C11 1.402(8) .
C10 C18 1.406(8) .
C10 N1 1.425(8) .
C11 C15 1.378(9) .
C11 C12 1.513(8) .
C12 C14 1.516(10) .
C12 C13 1.530(9) .
C12 H12 1.0000 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 C16 1.392(9) .
C15 H15 0.9500 .
C16 C17 1.377(9) .
C16 H16 0.9500 .
C17 C18 1.379(9) .
C17 H17 0.9500 .
C18 C19 1.524(9) .
C19 C21 1.509(10) .
C19 C20 1.525(10) .
C19 H19 1.0000 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 C23 1.400(9) .
C22 C28 1.461(9) .
C22 K2 3.377(6) .
C23 C25 1.358(9) .
C23 O4 1.388(8) .
C23 K2 3.265(6) .
C23 K1 3.407(8) .
C24 O5 1.440(8) .
C24 O4 1.448(8) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 O5 1.394(8) .
C25 C26 1.397(10) .
C25 K4 3.496(7) 2_556
C26 C27 1.378(10) .
C26 H26 0.9500 .
C27 C28 1.442(10) .
C27 H27 0.9500 .
C28 C29 1.392(10) .
C29 N2 1.360(8) .
C29 C30 1.520(10) .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 C39 1.407(11) .
C31 C32 1.407(11) .
C31 N2 1.443(9) .
C32 C36 1.405(12) .
C32 C33 1.525(12) .
C33 C35 1.530(12) .
C33 C34 1.536(13) .
C33 H33 1.0000 .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 C37 1.375(14) .
C36 H36 0.9500 .
C37 C38 1.348(14) .
C37 H37 0.9500 .
C38 C39 1.396(12) .
C38 H38 0.9500 .
C39 C40 1.528(12) .
C40 C41 1.513(12) .
C40 C42 1.524(11) .
C40 H40 1.0000 .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C41 H41C 0.9800 .
C42 H42A 0.9800 .
C42 H42B 0.9800 .
C42 H42C 0.9800 .
C43 C44 1.388(8) .
C43 C49 1.460(9) .
C43 K3 3.235(6) .
C44 C46 1.353(9) .
C44 O7 1.406(7) .
C44 K3 3.341(6) .
C44 K2 3.504(7) .
C45 O7 1.427(8) .
C45 O6 1.454(7) .
C45 H45A 0.9900 .
C45 H45B 0.9900 .
C46 C47 1.396(9) .
C46 O6 1.412(7) .
C46 K1 3.477(6) .
C47 C48 1.366(9) .
C47 H47 0.9500 .
C48 C49 1.417(9) .
C48 H48 0.9500 .
C49 C50 1.388(9) .
C50 N3 1.371(8) .
C50 C51 1.508(9) .
C51 H51A 0.9800 .
C51 H51B 0.9800 .
C51 H51C 0.9800 .
C52 C53 1.393(10) .
C52 N3 1.420(8) .
C52 C60 1.421(10) .
C53 C57 1.400(10) .
C53 C54 1.516(11) .
C54 C55 1.520(11) .
C54 C56 1.535(14) .
C54 H54 1.0000 .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C55 H55C 0.9800 .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
C57 C58 1.367(11) .
C57 H57 0.9500 .
C58 C59 1.377(12) .
C58 H58 0.9500 .
C59 C60 1.393(10) .
C59 H59 0.9500 .
C60 C61 1.531(11) .
C61 C63 1.513(12) .
C61 C62 1.550(13) .
C61 H61 1.0000 .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
C62 H62C 0.9800 .
C63 H63A 0.9800 .
C63 H63B 0.9800 .
C63 H63C 0.9800 .
C64 C65 1.396(9) .
C64 C70 1.452(9) .
C64 K4 3.142(6) .
C65 C67 1.356(9) .
C65 O10 1.397(8) .
C65 K4 3.204(6) .
C66 O9 1.440(8) .
C66 O10 1.445(8) .
C66 H66A 0.9900 .
C66 H66B 0.9900 .
C67 C68 1.394(9) .
C67 O9 1.401(8) .
C68 C69 1.364(9) .
C68 H68 0.9500 .
C69 C70 1.422(9) .
C69 H69 0.9500 .
C70 C71 1.401(9) .
C71 N4 1.371(8) .
C71 C72 1.507(9) .
C72 H72A 0.9800 .
C72 H72B 0.9800 .
C72 H72C 0.9800 .
C73 C81 1.395(9) .
C73 C74 1.415(9) .
C73 N4 1.438(8) .
C74 C78 1.375(10) .
C74 C75 1.529(9) .
C75 C76 1.473(12) .
C75 C77 1.525(11) .
C75 H75 1.0000 .
C76 H76A 0.9800 .
C76 H76B 0.9800 .
C76 H76C 0.9800 .
C77 H77A 0.9800 .
C77 H77B 0.9800 .
C77 H77C 0.9800 .
C78 C79 1.370(10) .
C78 H78 0.9500 .
C79 C80 1.382(10) .
C79 H79 0.9500 .
C80 C81 1.378(9) .
C80 H80 0.9500 .
C81 C82 1.530(9) .
C82 C84 1.515(11) .
C82 C83 1.540(10) .
C82 H82 1.0000 .
C83 H83A 0.9800 .
C83 H83B 0.9800 .
C83 H83C 0.9800 .
C84 H84A 0.9800 .
C84 H84B 0.9800 .
C84 H84C 0.9800 .
C85 C86 1.441(12) .
C85 H85A 0.9800 .
C85 H85B 0.9800 .
C85 H85C 0.9800 .
C86 O3 1.519(12) .
C86 H86A 0.9900 .
C86 H86B 0.9900 .
C87 O3 1.454(11) .
C87 C88 1.496(11) .
C87 H87A 0.9900 .
C87 H87B 0.9900 .
C88 H88A 0.9800 .
C88 H88B 0.9800 .
C88 H88C 0.9800 .
O3 K1 2.651(9) .
C85A C86A 1.433(17) .
C85A H85D 0.9800 .
C85A H85E 0.9800 .
C85A H85F 0.9800 .
C86A O3A 1.540(15) .
C86A H86C 0.9900 .
C86A H86D 0.9900 .
C87A O3A 1.484(15) .
C87A C88A 1.494(17) .
C87A H87C 0.9900 .
C87A H87D 0.9900 .
C88A H88D 0.9800 .
C88A H88E 0.9800 .
C88A H88F 0.9800 .
O3A K1 2.723(14) .
C89 C90 1.526(12) .
C89 H89A 0.9800 .
C89 H89B 0.9800 .
C89 H89C 0.9800 .
C90 O8 1.470(9) .
C90 H90A 0.9900 .
C90 H90B 0.9900 .
C91 O8 1.492(10) .
C91 C92 1.542(12) .
C91 H91A 0.9900 .
C91 H91B 0.9900 .
C92 H92A 0.9800 .
C92 H92B 0.9800 .
C92 H92C 0.9800 .
O8 K2 2.728(7) .
C89A C90A 1.44(3) .
C89A O8A 1.47(3) .
C89A H89D 0.9900 .
C89A H89E 0.9900 .
C90A C91A 1.50(3) .
C90A H90C 0.9900 .
C90A H90D 0.9900 .
C91A C92A 1.49(3) .
C91A H91C 0.9900 .
C91A H91D 0.9900 .
C92A O8A 1.38(3) .
C92A H92D 0.9900 .
C92A H92E 0.9900 .
O8A K2 2.677(17) .
C93 C94 1.466(14) .
C93 H93A 0.9800 .
C93 H93B 0.9800 .
C93 H93C 0.9800 .
C94 O11 1.479(11) .
C94 H94A 0.9900 .
C94 H94B 0.9900 .
C95 O11 1.454(10) .
C95 C96 1.502(13) .
C95 H95A 0.9900 .
C95 H95B 0.9900 .
C96 H96A 0.9800 .
C96 H96B 0.9800 .
C96 H96C 0.9800 .
O11 K3 2.655(8) .
C93A C94A 1.464(17) .
C93A H93D 0.9800 .
C93A H93E 0.9800 .
C93A H93F 0.9800 .
C94A O11A 1.492(16) .
C94A H94C 0.9900 .
C94A H94D 0.9900 .
C95A O11A 1.468(15) .
C95A C96A 1.489(18) .
C95A H95C 0.9900 .
C95A H95D 0.9900 .
C96A H96D 0.9800 .
C96A H96E 0.9800 .
C96A H96F 0.9800 .
O11A K3 2.684(14) .
C97 C98 1.442(18) .
C97 O12 1.463(19) .
C97 H97A 0.9900 .
C97 H97B 0.9900 .
C98 C99 1.496(18) .
C98 H98A 0.9900 .
C98 H98B 0.9900 .
C99 C100 1.486(19) .
C99 H99A 0.9900 .
C99 H99B 0.9900 .
C100 O12 1.376(16) .
C100 H10A 0.9900 .
C100 H10B 0.9900 .
O12 K4 2.620(9) .
C97A C98A 1.426(17) .
C97A H97C 0.9800 .
C97A H97D 0.9800 .
C97A H97E 0.9800 .
C98A O12A 1.435(14) .
C98A H98C 0.9900 .
C98A H98D 0.9900 .
C99A C10A 1.484(18) .
C99A O12A 1.508(15) .
C99A H99C 0.9900 .
C99A H99D 0.9900 .
C10A H10D 0.9800 .
C10A H10E 0.9800 .
C10A H10F 0.9800 .
O12A K4 2.639(13) .
K1 O6 2.723(4) .
K1 O4 2.865(5) .
K1 O1 2.991(5) .
K1 K4 4.822(2) 2_556
K2 O7 2.756(5) .
K2 O9 2.856(4) .
K2 O4 3.089(5) .
K3 O10 2.752(5) .
K3 O2 2.867(5) 2_546
K3 C4 3.407(7) 2_546
K3 K4 5.008(2) .
K4 O5 2.799(5) 2_546
K4 O1 2.822(5) 2_546
K4 O10 3.341(5) .
K4 Ge1 3.4797(17) 2_546
K4 C2 3.485(7) 2_546
K4 C25 3.496(7) 2_546
K4 K1 4.822(2) 2_546
O1 K4 2.822(5) 2_556
O2 K3 2.867(5) 2_556
O5 K4 2.799(5) 2_556
